7DB4

Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP012- and glutathione-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	58.675, 75.133, 108.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.900 - 1.540
R-factor	0.1682
Rwork	0.167
R-free	0.19660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kem
RMSD bond length	0.004
RMSD bond angle	1.096
Data reduction software	XDS (17, 2015)
Data scaling software	Aimless (0.5.15)
Phasing software	MOLREP (11.7.02)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.900	1.597
High resolution limit [Å]	1.540	1.542
Rmerge	0.043	0.399
Rmeas	0.047
Number of reflections	71336	6890
<I/σ(I)>	26.52
Completeness [%]	99.7	97.92
Redundancy	7	5.2
CC(1/2)	1.000	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	34% (v/v) PPG400 in 80mM Bis-Tris, pH 6.4